Crystallography Open Database

Information card for entry 7208544

7208543 << 7208544 >> 7208545

Preview

Coordinates	7208544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H74 Co N6 O10
Calculated formula	C62 H74 Co N6 O10
SMILES	C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.c1(c2cccc1Cc1c(O)c(ccc1)Cc1c([O-])c(ccc1)Cc1c(O)c(ccc1)C2)O.O.c1(c2cccc1Cc1c(O)c(ccc1)Cc1c([O-])c(ccc1)Cc1c(O)c(ccc1)C2)O.O
Title of publication	A series of complexes constructed by different calix[4]arene derivatives
Authors of publication	Liu, Ying-Ying; Chen, Chun; Ma, Jian-Fang; Yang, Jin
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	19
Pages of publication	6201
a	18.392 ± 0.0003 Å
b	18.966 ± 0.0003 Å
c	15.866 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5534.42 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	0.881
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180416 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/85.	7208544.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208544.cif
66487	2012-09-11	cif/ Adding structures of 7208540, 7208541, 7208542, 7208543, 7208544, 7208545, 7208546, 7208547, 7208548, 7208549, 7208550, 7208551, 7208552 via cif-deposit CGI script.	7208544.cif